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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClNS
Molecular Weight 183.658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLOROBENZYL ISOTHIOCYANATE

SMILES

ClC1=CC=CC=C1CN=C=S

InChI

InChIKey=RMVDNJDSLXQPAV-UHFFFAOYSA-N
InChI=1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C8H6ClNS
Molecular Weight 183.658
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:53:09 GMT 2023
Edited
by admin
on Sat Dec 16 12:53:09 GMT 2023
Record UNII
8JLA99K9EB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLOROBENZYL ISOTHIOCYANATE
Common Name English
ISOTHIOCYANIC ACID, O-CHLOROBENZYL ESTER
Common Name English
NSC-221237
Code English
Code System Code Type Description
NSC
221237
Created by admin on Sat Dec 16 12:53:09 GMT 2023 , Edited by admin on Sat Dec 16 12:53:09 GMT 2023
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PUBCHEM
29351
Created by admin on Sat Dec 16 12:53:09 GMT 2023 , Edited by admin on Sat Dec 16 12:53:09 GMT 2023
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CAS
18967-44-7
Created by admin on Sat Dec 16 12:53:09 GMT 2023 , Edited by admin on Sat Dec 16 12:53:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID30172380
Created by admin on Sat Dec 16 12:53:09 GMT 2023 , Edited by admin on Sat Dec 16 12:53:09 GMT 2023
PRIMARY
FDA UNII
8JLA99K9EB
Created by admin on Sat Dec 16 12:53:09 GMT 2023 , Edited by admin on Sat Dec 16 12:53:09 GMT 2023
PRIMARY